(9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione

C14H22O2 — CID 132571018

IUPAC(9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione
SMILESC=C/C(C)=C/CCC(C)CC(=O)CC(C)=O
InChIInChI=1S/C14H22O2/c1-5-11(2)7-6-8-12(3)9-14(16)10-13(4)15/h5,7,12H,1,6,8-10H2,2-4H3/b11-7+
InChIKeyUCMWTPQGNIJMEN-YRNVUSSQSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds8

About (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione

(9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione (PubChem CID 132571018) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione.

Molecular Properties

Compound Name(9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione
PubChem CID132571018
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione
SMILESC=C/C(C)=C/CCC(C)CC(=O)CC(C)=O
InChIInChI=1S/C14H22O2/c1-5-11(2)7-6-8-12(3)9-14(16)10-13(4)15/h5,7,12H,1,6,8-10H2,2-4H3/b11-7+
InChIKeyUCMWTPQGNIJMEN-YRNVUSSQSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-methylnonane-2,4-dione
CID 98210989
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115
4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
CID 87880909
(5R)-5-methylnona-1,8-dien-3-one
CID 10582957
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
5-[(5Z)-2,6-dimethylocta-5,7-dienyl]furan-3-carboxylic acid
CID 23425133
5-[(2R,5E)-2,6-dimethylocta-5,7-dienyl]furan-3-carboxylic acid
CID 163190326
(5Z)-11-hydroxy-5,9-dimethylundeca-1,5-dien-3-one
CID 162767085
[(E,3S)-3,7-dimethyl-8-oxooct-6-enyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
CID 12047373
N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
CID 11312339

Frequently Asked Questions

What is the IUPAC name of (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione?
The IUPAC name of (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione (CID 132571018) is (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione.
What is the SMILES notation for (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione?
The canonical SMILES for (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione is C=C/C(C)=C/CCC(C)CC(=O)CC(C)=O.
What is the InChIKey of (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione?
The InChIKey is UCMWTPQGNIJMEN-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-11(2)7-6-8-12(3)9-14(16)10-13(4)15/h5,7,12H,1,6,8-10H2,2-4H3/b11-7+.
What are the key properties of (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione?
(9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione has a molecular weight of 222.33 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-6,10-dimethyldodeca-9,11-diene-2,4-dione is sourced from PubChem (CID 132571018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).